SCHEMBL493185

SCHEMBL493185

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3ccccc3)N(C)C)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 3/20 0.41
PDE4D Q08499 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL493119 0.92 KMT2A (0.42) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL492490 0.92 MAPT (0.39) MAPTHCRTR1HCRTR2TP53ALDH1A1
SCHEMBL492817 0.89 CAMK2A (0.40) ALDH1A1KMT2AUSP2HTTMEN1
SCHEMBL493526 0.89 CCR5 (0.43) ALDH1A1GAASMN1; SMN2HTTHPGD
SCHEMBL492551 0.89 USP2 (0.43) MAPTHCRTR1HCRTR2TP53ALDH1A1
SCHEMBL492827 0.88 MAPT (0.39) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL492794 0.87 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2HTTMEN1
SCHEMBL492822 0.87 LMNA (0.40) ALDH1A1KMT2ASMN1; SMN2HTTMEN1
SCHEMBL492675 0.85 BDKRB1 (0.41) MAPTALDH1A1GAASMN1; SMN2PKM
SCHEMBL492626 0.84 LMNA (0.53) GAASMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD MAPT 1653/4885HCRTR1 3364/4885HCRTR2 2955/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.